SCHEMBL4528400

SCHEMBL4528400

CCCCC(=O)NCc1ccc(-c2csc(N(C(=N)N)c3ccccc3)n2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 3/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ADORA1 P30542 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9292504 0.76 NPC1 (0.40) MAPTRAB9ANPC1
SCHEMBL3610805 0.73 ALDH1A1 (0.45) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL9293445 0.70 NPC1 (0.42) MAPTRAB9ANPC1
SCHEMBL3612577 0.68 MAPT (0.43) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL3602005 0.66 KMT2A (0.43) KDM4EMAPTLMNASMN1; SMN2RAB9A
SCHEMBL9293390 0.65 MAPT (0.62) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9293439 0.65 MAPT (0.43) MAPTRAB9ANPC1
SCHEMBL9368118 0.65 MAPT (0.38) KDM4EMAPTSMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL10730733 0.65 MAPT (0.61) KDM4EMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9271973 0.64 HRH2 (0.41) KDM4EMAPTRAB9ANPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO disclosed